mithramycin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 208
Total Number of Articles : 182
PubChem 146157736
Molecular Formula

C52H76O24

SMILES

CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8C[C@](C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O

InChI

InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19?,20?,21?,22?,23?,24?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,41?,42?,43?,44?,45?,49?,50?,51?,52-/m0/s1

synonyms
  • plicamycin
  • mithramycin a
  • 18378-89-7
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Properties
Property Value
MW 1085.1 g/mol
HBD 11
HBA 24
Rotatable Bond Count 15
Exact Mass 1084.47265329 g/mol
Monoisotopic Mass 1084.47265329 g/mol
Heavy Atom Count 76
Isotope Atom Count 0
Atom Stereo Count 25
Covalent Unit Count 1
Complexity 1940
xlogp 0.6
Topological Polar Surface Area 358